6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine

C8H11ClN4O2 — CID 62102659

IUPAC6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H11ClN4O2/c1-3-4-12(2)8-6(13(14)15)7(9)10-5-11-8/h5H,3-4H2,1-2H3
InChIKeyNSIQFLHUYGRZMR-UHFFFAOYSA-N
MW230.66 g/mol
LogP1.88
Rot. Bonds4

About 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine

6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 62102659) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
PubChem CID62102659
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H11ClN4O2/c1-3-4-12(2)8-6(13(14)15)7(9)10-5-11-8/h5H,3-4H2,1-2H3
InChIKeyNSIQFLHUYGRZMR-UHFFFAOYSA-N
XLogP1.88
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
CID 62101508
2-[(6-chloro-5-nitropyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 62101026
6-chloro-N-methyl-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 62100691
6-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62102823
6-chloro-N-methyl-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 62100855
6-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101349
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 13157472
6-chloro-N,N-bis(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 107870670
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 62101199
6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
CID 55035481
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101190
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101850

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine (CID 62102659) is 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine is CCCN(C)c1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is NSIQFLHUYGRZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-3-4-12(2)8-6(13(14)15)7(9)10-5-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine?
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 230.66 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62102659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).